SCHEMBL3536652

SCHEMBL3536652

Nc1ccccc1NC(=O)c1ccc(Cn2c(=S)[nH]c3cc(Br)ccc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.58
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 1/20 0.47
HDAC2 Q92769 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3534273 0.89 HDAC1 (0.70) HDAC1HDAC2
SCHEMBL3534349 0.89 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3534436 0.88 HDAC1 (0.64) HDAC1HDAC2
SCHEMBL3539366 0.86 HDAC1 (0.53) HDAC1HDAC2
SCHEMBL3536619 0.86 HDAC1 (0.60) HDAC1HDAC2SMN1; SMN2
SCHEMBL3538592 0.84 HDAC1 (0.52) HDAC1RXFP1HDAC2
SCHEMBL3538280 0.83 HDAC2 (0.56) HDAC1HDAC2
SCHEMBL3534975 0.83 HDAC1 (0.56) HDAC1HDAC2
SCHEMBL3539983 0.83 HDAC1 (0.56) HDAC1MEN1KMT2AHDAC2
SCHEMBL3536483 0.82 HDAC1 (0.70) HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US claimed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US claimed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-7642275-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-01-05 US disclosed
US-20060205941-A1 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. 2006-09-14 US disclosed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 US disclosed
WO-2006066133-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060205941-A1 Histone deacetylase inhibitors HDAC1, HDAC3, HDAC5 HDAC1 1/4885MAPT 1783/4885MEN1 3734/4885
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR HDAC1 685/4885MAPT 4643/4885MEN1 3465/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.